SCHEMBL9637249

SCHEMBL9637249

CC[C@H](C)[C@@H]([C]=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.53
MME P08473 6/20 0.53
CPA1 P15085 6/20 0.53
ACE2 Q9BYF1 6/20 0.53
CTRB1 P17538 3/20 0.50
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
CTSC P53634 1/20 0.44
CTSD P07339 1/20 0.44
GNPAT O15228 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9637243 1.00 ACE (0.53) ACEMMECPA1ACE2CTRB1
SCHEMBL7259322 0.94 CTSD (0.49) ACEMMECPA1ACE2CTRB1
SCHEMBL2184328 0.87 MME (0.47) ACEMMECPA1ACE2HDAC3
SCHEMBL9637180 0.85 CTSC (0.54) ACEMMECPA1ACE2CTRB1
SCHEMBL9637178 0.85 CTSC (0.54) ACEMMECPA1ACE2CTRB1
SCHEMBL29876711 0.83 ACE (0.58) ACEMMECPA1ACE2CTRB1
SCHEMBL9848482 0.82 CTSS (0.62) ACECTSD
SCHEMBL9637159 0.82 MMP2 (0.47) ACEMMECPA1ACE2
SCHEMBL9636716 0.82 MMP2 (0.47) ACEMMECPA1ACE2
SCHEMBL9636709 0.82 MMP2 (0.47) ACEMMECPA1ACE2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268678-B1 NOVEL 5-FLUOROURIDINE COMPOUNDS AND PROCESS FOR THEIR PREPARATION FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-29 EP claimed
US-4892939-A ANTITUMOR, ANTIVIRAL AND IMMUNOSUPRESSIVE AGENTS FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-09 US claimed